Analyte Name

(R)-Cetirizine Propanediol Ester Dihydrochloride(Mixture of regioisomers)

Molecular Formula

C24H31ClN2O4.2(HCl)

Molecular Weight

966.86

Accurate Mass

964.36

SMILES

O=C(OCC(C)O)COCCN1CCN([C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=C3)CC1.O=C(OC(CO)C)COCCN4CCN([C@@H](C5=CC=C(C=C5)Cl)C6=CC=CC=C6)CC4.Cl.Cl

InChI

InChI=1S/2C24H31ClN2O4.2ClH/c1-19(28)17-31-23(29)18-30-16-15-26-11-13-27(14-12-26)24(20-5-3-2-4-6-20)21-7-9-22(25)10-8-21;1-19(17-28)31-23(29)18-30-16-15-26-11-13-27(14-12-26)24(20-5-3-2-4-6-20)21-7-9-22(25)10-8-21;;/h2*2-10,19,24,28H,11-18H2,1H3;2*1H/t2*19?,24-;;/m11../s1

IUPAC

1-hydroxypropan-2-yl 2-(2-(4-((R)-(4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetate--2-hydroxypropyl 2-(2-(4-((R)-(4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetate (1/1) hydrochloride

Alternate CAS Number

2705552-48-1

Country of Origin

CANADA

Product Format

Neat